SCHEMBL8800449

SCHEMBL8800449

O=C(O)CNS(=O)(=O)c1cc2c(Br)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
GAA P10253 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.39
KMT2A Q03164 2/20 0.39
APEX1 P27695 1/20 0.39
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
GRIN2D O15399 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8799576 0.83 ALDH1A1 (0.44) APEX1KDM4ETDP1POLBALDH1A1
SCHEMBL1926052 0.78 MMP2 (0.56) MMP1MMP2GAAMMP12MMP14
SCHEMBL8800170 0.76 APEX1 (0.39) MMP1MMP2MMP3MMP7MMP9
SCHEMBL10674988 0.73 FABP4 (0.58) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8799954 0.72 CA2 (0.39) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL18233474 0.69 ATM (0.44) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6340411 0.69 MMP12 (0.59) MMP1MMP2MMP13GAAMMP12
SCHEMBL8799952 0.69 APEX1 (0.38) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8800405 0.68 CA12 (0.44) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8799970 0.68 MMP1 (0.46) MMP1MMP2MMP3MMP7MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355827-B1 Hydantoin derivatives MOCHIDA PHARM CO LTD (JP) 1997-01-02 EP disclosed
US-RE35279-E ALDOSE REDUCTASE INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
US-5202339-A Hypoglycemic, hypolipedemic agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
US-5004751-A Antidiabetic agents; aldoe reductase inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed
WO-1990002126-A1 HYDANTOIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-08 WO disclosed
EP-0355827-A2 Hydantoin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed